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Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [2];  [3];  [3];  [3];  [4]
  1. Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, United States; OSTI
  2. Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, United States; Computational Physics Laboratory, Department of Physics, Pamukkale University, 20010 Denizli, Turkey
  3. Department of Chemistry, Rutgers University, Newark, New Jersey 07102, United States
  4. Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Kent State Univ., Kent, OH (United States); Rutgers Univ., Piscataway, NJ (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0016501; SC0018343
OSTI ID:
1978114
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 22 Vol. 13; ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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